4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine

C15H18FN3O — CID 66249133

IUPAC4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nc3cc(F)ccc3n2C2CC2)COCC1N
InChIInChI=1S/C15H18FN3O/c1-15(8-20-7-13(15)17)14-18-11-6-9(16)2-5-12(11)19(14)10-3-4-10/h2,5-6,10,13H,3-4,7-8,17H2,1H3
InChIKeySGYDVISRESMZKC-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.13
Rot. Bonds2

About 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine

4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine (PubChem CID 66249133) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine
PubChem CID66249133
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCC1(c2nc3cc(F)ccc3n2C2CC2)COCC1N
InChIInChI=1S/C15H18FN3O/c1-15(8-20-7-13(15)17)14-18-11-6-9(16)2-5-12(11)19(14)10-3-4-10/h2,5-6,10,13H,3-4,7-8,17H2,1H3
InChIKeySGYDVISRESMZKC-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine (CID 66249133) is 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine is CC1(c2nc3cc(F)ccc3n2C2CC2)COCC1N.
What is the InChIKey of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine?
The InChIKey is SGYDVISRESMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(8-20-7-13(15)17)14-18-11-6-9(16)2-5-12(11)19(14)10-3-4-10/h2,5-6,10,13H,3-4,7-8,17H2,1H3.
What are the key properties of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine?
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine has a molecular weight of 275.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66249133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).